[Wien] error on volume optimization

[Bagher Ahmadi]

Dear Prof. Blaha and wien2k user
  Hello
  I have a system Pentium 4 dual channel em64t with 1GB Ram and CPU 2800.
  I did compile wien2k_06 with Intel ifort 9.0(fce)+mkl 8.0.1 with the following option without errors. 
  O: -FR –mpl –w –prec_div –pc80 –pad –ip –DINTEL_VML –xW
  L: -L/opt/intel/mkl/8.0.1/lib/em64t –i-dynamic –lguide –lpthread
  R: -L/opt/intel/mkl/8.0.1/lib/em64t -lmkl_lapack64 –lmkl_em64t -lguide 
   
  Note to all wien2k user. I would like to mention that the –i-static switch is no longer works with ifort (fce)9.0+mkl 8.0.1
  However, I did run several tests including TiC. The whole tasks are running well except Volume optimization. The error is as follows:

********************************************

   GENERATES STRUCT-FILES AND optimize.job

 PLEASE CHOOSE ONE OF THE FOLLOWING FEATURES:

 

 [1]  VARY VOLUME with CONSTANT RATIO A:B:C

 [2]  VARY C/A RATIO with CONSTANT VOLUME (tetr and hex lattices)

 [3]  VARY C/A RATIO with CONSTANT VOLUME and B/A (orthorh lattice)

 [4]  VARY B/A RATIO with CONSTANT VOLUME and C/A (orthorh lattice)

 

 ********************************************

 

 NUMBER OF STRUCTURE CHANGES ?

 PLEASE ENTER VALUE            1 (IN %)  

forrtl: severe (59): list-directed I/O syntax error, unit -4, file stdin

Image              PC                Routine            Line        Source             

libirc.so          00002AAAAB69C1A3  Unknown               Unknown  Unknown

libirc.so          00002AAAAB696956  Unknown               Unknown  Unknown

libifcore.so.5     00002AAAAB16F736  Unknown               Unknown  Unknown

0.004u 0.000s 0:00.01 0.0%     0+0k 0+0io 0pf+0w

error: command   /root/wien2k/optimize optimize.def   failed

 
  I did ldd/
./wien2k/optimize (lapw1) the all above libs are also in PATH (/opt/intel/fce/9.0.1/lib/libirc.so and /opt/intel/fce/9.0.1/libifcore.so.5).
  I wonder, may I ask, could any body that have more experience help me?  
  Best wishes
  B. Ahmadi
   
   
   

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